KEGG   DRUG: Lofentanil oxalateHelp
Entry
D04764                      Drug                                   

Name
Lofentanil oxalate (USAN)
Formula
C25H32N2O3. C2H2O4
Exact mass
498.2366
Mol weight
498.5681
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Efficacy
Analgesic (narcotic), Opioid receptor agonist
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D04764  Lofentanil oxalate (USAN)
BRITE hierarchy
Other DBs
CAS: 61380-41-4
PubChem: 47206579
LigandBox: D04764
NIKKAJI: J365.046D
KCF data Show

ATOM        36
            1   C6a C    30.5325  -27.0660
            2   C6a C    31.6601  -26.3612
            3   O6a O    29.3344  -26.3612
            4   O6a O    30.5325  -28.4754
            5   O6a O    32.8581  -27.0660
            6   O6a O    31.6601  -25.1631
            7   C8x C    14.6053  -27.0660
            8   C8x C    14.6053  -28.4754
            9   C8x C    15.8033  -29.1802
            10  C8x C    17.0719  -28.4754
            11  C8y C    17.0719  -27.0660
            12  C8x C    15.8033  -26.2907
            13  N1c N    18.3404  -26.2907
            14  C1z C    19.6090  -27.0660
            15  C1y C    19.6090  -28.4754
            16  C1x C    20.8070  -29.1802
            17  N1y N    22.0756  -28.4754
            18  C1x C    22.0756  -27.0660
            19  C1x C    20.8070  -26.2907
            20  C1b C    23.3441  -29.1802
            21  C1b C    24.5422  -28.4754
            22  C8y C    25.8107  -29.1802
            23  C5a C    18.3404  -24.8812
            24  O5a O    17.0719  -24.1765
            25  C1b C    19.6090  -24.1765
            26  C1a C    20.8070  -24.8812
            27  C7a C    18.7647  -27.8412
            28  O7a O    18.7647  -29.2507
            29  O6a O    17.7066  -27.5588
            30  C1a C    17.7061  -29.9554
            31  C8x C    25.8340  -30.5895
            32  C8x C    27.0660  -31.2740
            33  C8x C    28.2749  -30.5492
            34  C8x C    28.2516  -29.1399
            35  C8x C    27.0195  -28.4554
            36  C1a C    19.6090  -30.1554
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     7   8 2
            7     8   9 1
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11    7  12 1
            12   11  13 1
            13   14  13 1 #Down
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   14  19 1
            20   17  20 1
            21   20  21 1
            22   21  22 1
            23   13  23 1
            24   23  24 2
            25   23  25 1
            26   25  26 1
            27   14  27 1 #Up
            28   27  28 1
            29   27  29 2
            30   28  30 1
            31   22  31 2
            32   31  32 1
            33   32  33 2
            34   33  34 1
            35   34  35 2
            36   22  35 1
            37   15  36 1 #Down

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